SCHEMBL5488230

SCHEMBL5488230

NS(=O)(=O)c1ccccc1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
PTGS2 P35354 1/20 0.54
EDNRA P25101 2/20 0.50
ALOX5AP P20292 2/20 0.48
FEN1 P39748 2/20 0.48
CYP2A6 P11509 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
STAT3 P40763 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28462214 0.85 STAT3 (0.52) CA2CA9CA12CA1PTGS2
SCHEMBL11291071 0.84 PTGS2 (0.55) CA2CA9CA12CA1PTGS2
SCHEMBL30863682 0.84 PTGS2 (0.55) CA2CA9CA12CA1PTGS2
SCHEMBL8629752 0.83 CA2 (0.43) CA2CA9CA12CA1PTGS2
SCHEMBL28404373 0.83 PTGS2 (0.54) CA2CA9CA12CA1PTGS2
SCHEMBL9130312 0.82 CA9 (0.46) CA2CA9CA12CA1PTGS2
SCHEMBL13733557 0.82 ALOX5AP (0.51) CA2CA9CA12CA1EDNRA
SCHEMBL20899666 0.81 CYP2A6 (0.48) CA2CA9CA12CA1PTGS2
SCHEMBL3717538 0.80 CA12 (0.43) CA2CA9CA12CA1PTGS2
SCHEMBL1990221 0.80 LRRK2 (0.49) CA2CA9CA12CA1ALOX5AP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 CN disclosed
US-20150259327-A1 Chemical Compounds PFIZER LIMITED (GB) 2015-09-17 US disclosed
US-9067922-B2 Chemical compounds PFIZER LIMITED (GB) 2015-06-30 US disclosed
US-20140315878-A1 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2014-10-23 US disclosed
US-7183320-B2 Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents ELI LILLY AND COMPANY (US) 2007-02-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150259327-A1 Chemical Compounds SULT2A1, SULT1A1, SULT1E1 CA2 916/4885CA9 1597/4885CA12 2976/4885
US-20140315878-A1 CHEMICAL COMPOUNDS SULT2A1, SULT1A1, SULT1E1 CA2 916/4885CA9 1597/4885CA12 2976/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.